5-butyl-2-(2-methylphenyl)-3-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Systemtic Name: 5-butyl-2-(2-methylphenyl)-3-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Openeye Name: 5-butyl-3-(3-nitrophenyl)-2-(o-tolyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione CAS Name: 5-butyl-2-(2-methylphenyl)-3-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione IUPAC Name: 5-butyl-2-(2-methylphenyl)-3-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Traditional Name: 5-butyl-3-(3-nitrophenyl)-2-(o-tolyl)-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazole-4,6-quinone Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(N(OC2C1=O)C3=CC=CC=C3C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2C(N(OC2C1=O)C3=CC=CC=C3C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-3-4-12-23-21(26)18-19(15-9-7-10-16(13-15)25(28)29)24(30-20(18)22(23)27)17-11-6-5-8-14(17)2/h5-11,13,18-20H,3-4,12H2,1-2H3